Keyword(s): Human Metabolites
Molecule Category Free-form
UNII R2R9N38UDY
EPA CompTox DTXSID7052658

Structure

InChI Key UGEJOEBBMPOJMT-UHFFFAOYSA-N
Smiles Oc1cccc(c1)C(F)(F)F
InChI
InChI=1S/C7H5F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5F3O1
Molecular Weight 162.03
AlogP 2.41
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 98-17-9
NORMAN SUSDAT
FDA SRS R2R9N38UDY
PubChem 7376
ChemSpider 7098.0